3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid

CAS: 56531-57-8

Molecular Formula	`C19H24O2`
Molecular Weight	284.4 g/mol
LogP	4.6
Topological Polar Surface Area	37.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	284.17764
Heavy Atoms	21
Complexity	440.0

Chemical Identifiers

CAS Number	56531-57-8
SMILES	`CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O)C`
InChIKey	`OSUAHUMJPBHFKV-UHFFFAOYSA-N`

📖 Product Overview

3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid (CAS: 56531-57-8) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.4 g/mol. Its IUPAC systematic name is 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid. LogP 4.6 Topological Polar Surface Area 37.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 284.17764 Heavy Atoms 21 Complexity 440.0 InChI Key: OSUAHUMJPBHFKV-UHFFFAOYSA-N. SMILES: CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O)C.

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